60145449 -OEChem-05142414512D 67 68 0 0 0 0 0 0 0999 V2000 11.5418 6.8805 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 4.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 8.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 13.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4078 7.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6757 6.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0418 7.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0418 6.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 4.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 8.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 2.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 10.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 7.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 4.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 9.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 3.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 12.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 9.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 8.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 9.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 3.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 11.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 10.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 10.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 12.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 11.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 4.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 9.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1169 1.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 11.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1169 12.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0294 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0294 13.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9447 7.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1388 6.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 28 1 0 0 0 0 4 58 1 0 0 0 0 5 29 1 0 0 0 0 5 59 1 0 0 0 0 6 36 1 0 0 0 0 6 64 1 0 0 0 0 7 37 1 0 0 0 0 7 65 1 0 0 0 0 8 66 1 0 0 0 0 9 67 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 40 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 13 41 1 0 0 0 0 14 30 1 0 0 0 0 14 34 1 0 0 0 0 14 52 1 0 0 0 0 15 31 1 0 0 0 0 15 35 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 2 0 0 0 0 21 23 1 0 0 0 0 21 29 2 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 30 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 31 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 34 36 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 37 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 M END > 60145449 > 1 > 653 > 14 > 10 > 12 > AAADceB7vABAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAHgAQCAAADAzhmAYwxoLAAoCIAqRSQDCCAAAlIgAIiIEObMgKdj7ClJOUcchk8BHY2Uff2POOgQCBQAAaAACCAQaAADQAAAAAAAAAAA== > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;sulfuric acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;sulfuric acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;sulfuric acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;sulfuric acid > 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;sulfuric acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;sulfuric acid > InChI=1S/C22H28N4O6.H2O4S/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;1-5(2,3)4/h1-4,23-30H,5-12H2;(H2,1,2,3,4) > BFASINVJZZGALO-UHFFFAOYSA-N > 542.16826434 > C22H30N4O10S > 542.6 > C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.OS(=O)(=O)O > C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.OS(=O)(=O)O > 246 > 542.16826434 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 16 17 8 16 18 8 17 19 8 18 24 8 19 25 8 20 21 8 20 28 8 21 29 8 24 25 8 28 32 8 29 33 8 32 33 8 $$$$